ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C13H28N2O — CID 168996026

IUPACethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCC.CC(C)N1CCOCC2(CCNC2)C1
InChIInChI=1S/C11H22N2O.C2H6/c1-10(2)13-5-6-14-9-11(8-13)3-4-12-7-11;1-2/h10,12H,3-9H2,1-2H3;1-2H3
InChIKeyJACZNGNEYCAIBJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds1

About ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 168996026) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Nameethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID168996026
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCC.CC(C)N1CCOCC2(CCNC2)C1
InChIInChI=1S/C11H22N2O.C2H6/c1-10(2)13-5-6-14-9-11(8-13)3-4-12-7-11;1-2/h10,12H,3-9H2,1-2H3;1-2H3
InChIKeyJACZNGNEYCAIBJ-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 168996026) is ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is CC.CC(C)N1CCOCC2(CCNC2)C1.
What is the InChIKey of ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is JACZNGNEYCAIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-10(2)13-5-6-14-9-11(8-13)3-4-12-7-11;1-2/h10,12H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 228.38 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 168996026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).